[(4-bromo-3,5-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine

C16H18BrFN2O — CID 103397690

IUPAC[(4-bromo-3,5-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine
SMILESCOc1ccc(C(NN)c2cc(C)c(Br)c(C)c2)c(F)c1
InChIInChI=1S/C16H18BrFN2O/c1-9-6-11(7-10(2)15(9)17)16(20-19)13-5-4-12(21-3)8-14(13)18/h4-8,16,20H,19H2,1-3H3
InChIKeyDENGFQQVUOMEJU-UHFFFAOYSA-N
MW353.24 g/mol
LogP3.77
Rot. Bonds4

About [(4-bromo-3,5-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine

[(4-bromo-3,5-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine (PubChem CID 103397690) has the molecular formula C16H18BrFN2O and a molecular weight of 353.24 g/mol. Its IUPAC name is [(4-bromo-3,5-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-bromo-3,5-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine
PubChem CID103397690
Molecular FormulaC16H18BrFN2O
Molecular Weight353.24 g/mol
Exact Mass352.06
IUPAC Name[(4-bromo-3,5-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine
SMILESCOc1ccc(C(NN)c2cc(C)c(Br)c(C)c2)c(F)c1
InChIInChI=1S/C16H18BrFN2O/c1-9-6-11(7-10(2)15(9)17)16(20-19)13-5-4-12(21-3)8-14(13)18/h4-8,16,20H,19H2,1-3H3
InChIKeyDENGFQQVUOMEJU-UHFFFAOYSA-N
XLogP3.77
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.24
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(4-bromophenyl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 103397533
[(3,5-dichlorophenyl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 103397720
[(2-fluoro-4-methoxyphenyl)-(6-methyl-3-pyridinyl)methyl]hydrazine
CID 105256923
[(4-bromo-3-chlorophenyl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 103397729
[(4-bromo-2,6-difluorophenyl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 103397835
[(4-bromo-2-fluorophenyl)-(3-methoxyphenyl)methyl]hydrazine
CID 105280937
[(3-bromo-2,6-difluorophenyl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 106945408
[(4-bromothiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 103397557
[(4-bromo-3,5-dimethylphenyl)-(2-methoxyphenyl)methyl]hydrazine
CID 105279392
[(4-bromo-3-chloro-2-fluorophenyl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 106765355
[(2-fluoro-4-methoxyphenyl)-(5-methylpyrazin-2-yl)methyl]hydrazine
CID 103397795
[(2-fluoro-4-methylphenyl)-(3-methoxyphenyl)methyl]hydrazine
CID 105283579

Frequently Asked Questions

What is the IUPAC name of [(4-bromo-3,5-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine?
The IUPAC name of [(4-bromo-3,5-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine (CID 103397690) is [(4-bromo-3,5-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine.
What is the SMILES notation for [(4-bromo-3,5-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine?
The canonical SMILES for [(4-bromo-3,5-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine is COc1ccc(C(NN)c2cc(C)c(Br)c(C)c2)c(F)c1.
What is the InChIKey of [(4-bromo-3,5-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine?
The InChIKey is DENGFQQVUOMEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrFN2O/c1-9-6-11(7-10(2)15(9)17)16(20-19)13-5-4-12(21-3)8-14(13)18/h4-8,16,20H,19H2,1-3H3.
What are the key properties of [(4-bromo-3,5-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine?
[(4-bromo-3,5-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine has a molecular weight of 353.24 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-bromo-3,5-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine is sourced from PubChem (CID 103397690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).